#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bkw h LEU 25 N 0.00 1.02 -2.00 0.99 3.38 -1.94 -2.53 115.31 114.22 3bkw h LEU 25 Ca 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3bkw h LEU 25 Cb 0.00 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.48 3bkw h LEU 25 CO 0.00 0.98 0.00 0.44 0.09 0.00 0.00 178.44 179.95 3bkw h ASP 26 N 1.00 0.00 1.41 -0.43 3.32 -2.01 -1.92 116.42 117.79 3bkw h ASP 26 Ca 0.21 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 3bkw h ASP 26 Cb 0.36 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 3bkw h ASP 26 CO 0.00 0.00 -0.59 1.23 -1.72 0.00 0.00 179.24 178.16 3bkw h GLY 27 N 0.89 0.00 -6.51 2.75 0.00 -1.96 -3.45 103.07 94.78 3bkw h GLY 27 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 3bkw h GLY 27 CO 0.00 0.00 0.56 0.00 0.00 0.00 0.00 176.54 177.10 3bkw s ALA 28 N -3.26 3.37 0.34 3.60 0.00 -0.72 -4.93 121.76 120.15 3bkw s ALA 28 Ca 0.03 -0.55 0.06 0.00 0.00 0.00 0.00 51.96 51.49 3bkw s ALA 28 Cb 0.08 -3.53 0.71 0.00 0.00 0.00 0.00 23.12 20.37 3bkw s ALA 28 CO 0.74 -1.68 1.90 0.00 0.00 0.00 0.00 175.76 176.72 3bkw h ALA 29 N 8.61 1.70 -0.00 0.00 0.00 -1.88 -1.87 119.26 125.81 3bkw h ALA 29 Ca -0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3bkw h ALA 29 Cb 1.08 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3bkw h ALA 29 CO 0.98 0.12 -0.10 -0.85 0.00 0.00 0.00 179.25 179.40 3bkw n GLU 30 N -4.52 0.46 0.14 0.00 0.00 -1.26 -4.34 120.64 111.11 3bkw n GLU 30 Ca 0.15 -0.12 -0.14 0.00 0.00 0.00 0.00 57.16 57.05 3bkw n GLU 30 Cb 0.33 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 30.20 3bkw n GLU 30 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.13 179.48 3bkw h TRP 31 N 0.29 -0.27 -0.94 -1.84 2.91 -1.61 -2.00 115.95 112.48 3bkw h TRP 31 Ca 0.00 -0.00 0.13 0.00 1.13 0.00 0.00 58.89 60.14 3bkw h TRP 31 Cb 0.37 0.09 -0.09 0.00 -0.51 0.00 0.00 29.16 29.03 3bkw h TRP 31 CO 0.00 -0.17 0.57 -1.35 -1.03 0.00 0.00 178.44 176.46 3bkw h PRO 32 N -0.28 0.85 -0.54 2.65 0.11 -1.77 0.40 132.00 133.42 3bkw h PRO 32 Ca -0.02 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.99 3bkw h PRO 32 Cb 0.23 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.12 3bkw h PRO 32 CO 0.03 0.56 0.17 0.00 -0.21 0.00 0.00 178.00 178.55 3bkw h ALA 33 N 1.53 0.71 -0.24 -0.75 0.00 -1.81 -1.29 119.26 117.42 3bkw h ALA 33 Ca 0.48 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 3bkw h ALA 33 Cb 0.53 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3bkw h ALA 33 CO -0.29 0.38 -0.44 1.25 0.00 0.00 0.00 179.25 180.15 3bkw h LEU 34 N 0.76 0.80 -0.86 0.00 5.85 -0.72 -3.08 115.31 118.05 3bkw h LEU 34 Ca 0.17 -0.54 0.06 0.00 0.84 0.00 0.00 57.88 58.42 3bkw h LEU 34 Cb 0.29 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 3bkw h LEU 34 CO -0.00 1.19 0.53 -0.09 -0.34 0.00 0.00 178.44 179.72 3bkw h ARG 35 N 0.45 0.93 -1.94 1.25 2.43 -0.15 -2.99 114.38 114.36 3bkw h ARG 35 Ca 0.01 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3bkw h ARG 35 Cb 1.04 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 3bkw h ARG 35 CO 0.10 0.62 0.00 0.00 -1.51 0.00 0.00 179.97 179.18 3bkw n ALA 36 N -2.35 1.63 -1.03 2.80 0.00 -0.49 -4.83 120.51 116.24 3bkw n ALA 36 Ca 0.13 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.58 3bkw n ALA 36 Cb 0.18 -1.32 -0.01 0.00 0.00 0.00 0.00 19.45 18.31 3bkw n ALA 36 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3bkw n LEU 38 N 1.31 -0.35 -4.78 0.00 4.77 -1.13 -5.11 117.00 111.71 3bkw n LEU 38 Ca 0.00 0.64 -0.29 0.00 -0.03 0.00 0.00 56.01 56.33 3bkw n LEU 38 Cb 0.04 -1.89 0.14 0.00 -2.33 0.00 0.00 43.42 39.38 3bkw n LEU 38 CO 0.00 -0.28 0.71 -2.16 -1.33 0.00 0.00 177.39 174.34 3bkw s PRO 39 N -4.48 0.99 0.08 3.23 0.04 -1.26 -4.95 135.00 128.66 3bkw s PRO 39 Ca 0.00 0.27 -0.32 0.00 0.04 0.00 0.00 61.00 60.99 3bkw s PRO 39 Cb 0.00 -1.82 -0.11 0.00 0.04 0.00 0.00 34.50 32.61 3bkw s PRO 39 CO 0.00 -2.29 1.86 -1.91 0.04 0.00 0.00 177.00 174.70 3bkw n GLU 40 N -3.83 2.69 0.01 4.56 4.07 -1.26 -4.88 120.64 122.00 3bkw n GLU 40 Ca 0.07 0.98 0.13 0.00 -0.06 0.00 0.00 57.16 58.28 3bkw n GLU 40 Cb 0.59 -2.87 0.42 0.00 -0.06 0.00 0.00 31.44 29.52 3bkw n GLU 40 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 3bkw n VAL 41 N 4.87 0.04 -1.68 6.31 0.24 -1.26 -4.83 118.33 122.02 3bkw n VAL 41 Ca 0.19 -0.02 -0.44 0.00 -2.04 0.00 0.00 64.34 62.03 3bkw n VAL 41 Cb 0.36 -0.13 -0.03 0.00 -1.47 0.00 0.00 33.84 32.57 3bkw n VAL 41 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3bkw n GLY 42 N 1.49 1.67 2.77 7.63 0.00 -1.24 -1.78 105.19 115.73 3bkw n GLY 42 Ca 0.06 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.86 3bkw n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bkw n GLY 43 N 4.34 0.83 3.88 -0.02 0.00 0.55 -4.90 105.19 109.87 3bkw n GLY 43 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 3bkw n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bkw s LEU 44 N 0.00 3.87 -0.23 0.99 1.43 -0.74 -4.15 118.68 119.85 3bkw s LEU 44 Ca 0.00 1.08 -0.15 0.00 -1.03 0.00 0.00 54.13 54.04 3bkw s LEU 44 Cb 0.00 -3.95 -0.04 0.00 0.03 0.00 0.00 46.19 42.23 3bkw s LEU 44 CO 0.00 -0.37 0.36 -0.13 0.23 0.00 0.00 176.35 176.44 3bkw s ARG 45 N -3.78 4.10 -0.01 1.70 0.52 -1.26 -0.85 118.95 119.38 3bkw s ARG 45 Ca 0.50 0.08 0.05 0.00 -0.52 0.00 0.00 55.73 55.84 3bkw s ARG 45 Cb -0.10 -3.58 -0.01 0.00 0.52 0.00 0.00 34.95 31.78 3bkw s ARG 45 CO 0.31 -0.11 -0.15 0.42 0.02 0.00 0.00 175.30 175.79 3bkw s ILE 46 N 1.54 1.20 -0.08 1.52 1.01 0.52 -0.27 121.20 126.63 3bkw s ILE 46 Ca 0.16 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 60.17 3bkw s ILE 46 Cb -0.15 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.31 3bkw s ILE 46 CO 0.08 0.31 -0.20 0.54 0.00 0.00 0.00 174.94 175.67 3bkw s VAL 47 N -0.40 2.43 -0.33 2.92 0.11 -0.64 -0.58 120.40 123.91 3bkw s VAL 47 Ca 0.06 -0.91 -0.06 0.00 -2.93 0.00 0.00 61.98 58.14 3bkw s VAL 47 Cb -0.06 -1.94 0.04 0.00 -1.53 0.00 0.00 36.38 32.89 3bkw s VAL 47 CO -0.00 0.56 0.09 -0.62 -3.33 0.00 0.00 175.10 171.79 3bkw s ASP 48 N 0.01 5.24 -0.49 3.54 -1.08 0.38 -0.77 116.67 123.50 3bkw s ASP 48 Ca -0.07 -1.13 -0.21 0.00 -0.52 0.00 0.00 52.55 50.61 3bkw s ASP 48 Cb -0.15 -1.85 0.04 0.00 -1.46 0.00 0.00 42.92 39.50 3bkw s ASP 48 CO 0.05 -0.31 0.72 -0.76 0.52 0.00 0.00 175.17 175.39 3bkw s LEU 49 N 1.39 4.56 0.00 -1.34 1.43 0.37 -1.13 118.68 123.95 3bkw s LEU 49 Ca -0.02 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 3bkw s LEU 49 Cb -0.19 -2.67 0.00 0.00 0.03 0.00 0.00 46.19 43.35 3bkw s LEU 49 CO 0.02 -0.93 0.00 0.61 0.23 0.00 0.00 176.35 176.28 3bkw n GLY 50 N 5.10 0.80 0.19 -3.19 0.00 0.62 -4.24 105.19 104.47 3bkw n GLY 50 Ca -0.02 -0.41 0.14 0.00 0.00 0.00 0.00 46.02 45.73 3bkw n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bkw n GLY 52 N 0.38 3.28 0.00 0.00 0.00 -1.26 -0.75 105.19 106.83 3bkw n GLY 52 Ca 0.02 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.03 3bkw n GLY 52 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3bkw n PHE 53 N 14.00 0.00 -0.92 1.61 7.35 -1.26 -4.52 117.46 133.72 3bkw n PHE 53 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3bkw n PHE 53 Cb 0.00 -0.25 0.00 0.00 0.35 0.00 0.00 39.48 39.58 3bkw n PHE 53 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3bkw n GLY 54 N 0.04 0.68 0.18 7.13 0.00 0.07 -4.18 105.19 109.10 3bkw n GLY 54 Ca 0.08 -0.70 -0.05 0.00 0.00 0.00 0.00 46.02 45.34 3bkw n GLY 54 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3bkw h TRP 55 N 0.00 0.31 -0.44 1.61 4.06 -1.90 -1.12 115.95 118.47 3bkw h TRP 55 Ca 0.00 0.02 -0.13 0.00 2.06 0.00 0.00 58.89 60.84 3bkw h TRP 55 Cb 0.23 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 28.31 3bkw h TRP 55 CO 0.00 0.13 -0.24 0.35 -3.56 0.00 0.00 178.44 175.12 3bkw h PHE 56 N 0.35 1.09 -0.36 0.49 3.57 -1.94 -1.96 116.94 118.18 3bkw h PHE 56 Ca 0.19 -0.28 0.06 0.00 3.53 0.00 0.00 57.97 61.47 3bkw h PHE 56 Cb 0.16 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.60 3bkw h PHE 56 CO -0.14 1.09 0.05 0.00 -2.23 0.00 0.00 178.31 177.08 3bkw h ARG 58 N 0.16 0.94 -0.33 0.00 3.08 -1.20 -1.59 114.38 115.44 3bkw h ARG 58 Ca 0.17 -0.27 0.03 0.00 0.07 0.00 0.00 59.98 59.98 3bkw h ARG 58 Cb 0.21 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 3bkw h ARG 58 CO -0.25 0.92 0.14 2.35 -1.07 0.00 0.00 179.97 182.06 3bkw h TRP 59 N 0.82 0.25 -0.50 3.04 7.01 -0.85 0.33 115.95 126.05 3bkw h TRP 59 Ca 0.16 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.16 3bkw h TRP 59 Cb 0.47 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.44 3bkw h TRP 59 CO 0.03 0.12 0.25 0.00 -2.79 0.00 0.00 178.44 176.05 3bkw h ALA 60 N 1.19 0.65 -0.19 2.65 0.00 -0.62 -1.29 119.26 121.64 3bkw h ALA 60 Ca 0.14 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3bkw h ALA 60 Cb 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3bkw h ALA 60 CO -0.13 0.20 0.11 1.25 0.00 0.00 0.00 179.25 180.69 3bkw h HIS 61 N 0.67 0.25 -0.69 0.00 -0.00 -1.09 -1.37 115.15 112.92 3bkw h HIS 61 Ca 0.17 -0.00 0.13 0.00 -0.00 0.00 0.00 60.37 60.67 3bkw h HIS 61 Cb 0.11 -0.08 -0.04 0.00 -0.00 0.00 0.00 27.41 27.39 3bkw h HIS 61 CO -0.01 0.22 0.46 0.93 -0.00 0.00 0.00 177.93 179.53 3bkw h GLU 62 N 0.22 0.38 -0.69 5.26 5.08 -0.60 -1.60 114.58 122.63 3bkw h GLU 62 Ca 0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3bkw h GLU 62 Cb 0.04 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3bkw h GLU 62 CO -0.01 0.25 0.00 0.72 -1.00 0.00 0.00 179.01 178.97 3bkw n HIS 63 N -4.47 1.31 -0.35 4.33 8.25 -0.52 -4.92 115.22 118.85 3bkw n HIS 63 Ca 0.12 -0.47 0.00 0.00 -0.26 0.00 0.00 57.72 57.12 3bkw n HIS 63 Cb 0.48 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 31.25 3bkw n HIS 63 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3bkw n GLY 64 N 0.52 0.81 3.73 -1.41 0.00 -0.60 -3.63 105.19 104.61 3bkw n GLY 64 Ca 0.18 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3bkw n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bkw n ALA 65 N -0.94 2.70 -0.04 4.61 0.00 -0.55 -0.33 120.51 125.95 3bkw n ALA 65 Ca 0.00 0.39 -0.06 0.00 0.00 0.00 0.00 53.44 53.76 3bkw n ALA 65 Cb 0.00 -2.49 0.13 0.00 0.00 0.00 0.00 19.45 17.08 3bkw n ALA 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3bkw h SER 66 N 5.76 0.66 -3.58 0.00 4.64 -1.15 -3.44 113.55 116.44 3bkw h SER 66 Ca -0.45 -0.24 -0.07 0.00 -0.47 0.00 0.00 61.79 60.56 3bkw h SER 66 Cb 1.21 -0.18 -0.23 0.00 -0.31 0.00 0.00 62.40 62.89 3bkw h SER 66 CO 0.87 0.90 -0.09 -0.47 -0.87 0.00 0.00 176.83 177.17 3bkw s TYR 67 N -4.50 -0.71 -0.09 4.77 5.04 -1.09 -4.82 117.35 115.95 3bkw s TYR 67 Ca -0.08 1.59 0.01 0.00 -2.44 0.00 0.00 57.07 56.16 3bkw s TYR 67 Cb 0.13 0.31 0.02 0.00 0.35 0.00 0.00 41.96 42.77 3bkw s TYR 67 CO 0.82 -0.36 -0.11 0.08 -1.34 0.00 0.00 175.55 174.64 3bkw s VAL 68 N 0.83 1.14 -0.29 3.14 1.01 -0.03 -0.36 120.40 125.84 3bkw s VAL 68 Ca -0.04 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 3bkw s VAL 68 Cb -0.05 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.26 3bkw s VAL 68 CO -0.07 0.37 0.05 -0.22 0.00 0.00 0.00 175.10 175.24 3bkw s LEU 69 N 1.06 3.76 -0.24 3.92 2.96 0.25 -0.65 118.68 129.74 3bkw s LEU 69 Ca -0.07 -0.77 -0.10 0.00 -0.22 0.00 0.00 54.13 52.97 3bkw s LEU 69 Cb -0.15 -1.84 -0.05 0.00 0.50 0.00 0.00 46.19 44.66 3bkw s LEU 69 CO -0.01 -0.19 0.14 -0.83 -1.32 0.00 0.00 176.35 174.14 3bkw s GLY 70 N 1.46 1.93 -0.08 7.98 0.00 0.35 -0.47 107.32 118.49 3bkw s GLY 70 Ca 0.02 -0.94 0.04 0.00 0.00 0.00 0.00 44.72 43.84 3bkw s GLY 70 CO 0.01 0.41 -0.19 1.08 0.00 0.00 0.00 173.10 174.41 3bkw s LEU 71 N 1.16 2.39 0.08 0.66 1.43 -0.28 -1.51 118.68 122.61 3bkw s LEU 71 Ca 0.06 -0.39 -0.19 0.00 -1.03 0.00 0.00 54.13 52.58 3bkw s LEU 71 Cb -0.14 -1.48 0.04 0.00 0.03 0.00 0.00 46.19 44.64 3bkw s LEU 71 CO 0.05 0.25 0.45 -0.62 0.23 0.00 0.00 176.35 176.71 3bkw s ASP 72 N -0.15 -0.33 0.20 2.29 2.15 -1.17 -0.27 116.67 119.38 3bkw s ASP 72 Ca -0.02 -0.05 0.10 0.00 0.43 0.00 0.00 52.55 53.01 3bkw s ASP 72 Cb -0.14 0.47 0.05 0.00 -0.30 0.00 0.00 42.92 43.00 3bkw s ASP 72 CO 0.04 -0.76 1.43 0.25 -0.17 0.00 0.00 175.17 175.95 3bkw h LEU 73 N 2.68 0.00 -8.66 -1.34 5.85 -1.85 -0.41 115.31 111.57 3bkw h LEU 73 Ca -0.32 0.00 -0.60 0.00 0.84 0.00 0.00 57.88 57.80 3bkw h LEU 73 Cb 1.23 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.16 3bkw h LEU 73 CO 0.43 0.79 0.60 -0.55 -0.34 0.00 0.00 178.44 179.38 3bkw s SER 74 N -6.70 6.50 0.20 1.25 0.15 -1.26 -4.73 113.70 109.10 3bkw s SER 74 Ca 0.01 0.11 -0.10 0.00 0.70 0.00 0.00 55.95 56.67 3bkw s SER 74 Cb 0.11 -2.46 0.14 0.00 -1.71 0.00 0.00 66.02 62.10 3bkw s SER 74 CO 0.79 -1.07 1.82 -0.08 1.20 0.00 0.00 173.24 175.90 3bkw h GLU 75 N 9.10 1.02 -0.89 5.44 4.57 -2.00 -1.82 114.58 130.00 3bkw h GLU 75 Ca -0.24 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 3bkw h GLU 75 Cb 1.07 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.46 3bkw h GLU 75 CO 1.04 0.75 0.00 1.63 -1.18 0.00 0.00 179.01 181.25 3bkw n LYS 76 N -4.48 0.02 0.00 1.92 5.02 -1.26 -0.93 118.16 118.45 3bkw n LYS 76 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 3bkw n LYS 76 Cb 0.08 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 3bkw n LYS 76 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3bkw n LEU 78 N 0.71 0.00 -0.26 -0.35 4.77 -0.69 -2.50 117.00 118.69 3bkw n LEU 78 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 3bkw n LEU 78 Cb 0.01 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.15 3bkw n LEU 78 CO 0.00 0.00 1.08 0.00 -1.33 0.00 0.00 177.39 177.14 3bkw h ALA 79 N 0.00 0.91 -0.52 -1.18 0.00 -1.31 -0.55 119.26 116.62 3bkw h ALA 79 Ca 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 3bkw h ALA 79 Cb 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3bkw h ALA 79 CO 0.00 0.45 -0.09 0.00 0.00 0.00 0.00 179.25 179.61 3bkw h ARG 80 N 0.98 0.97 -0.24 0.00 3.08 -1.77 -2.45 114.38 114.96 3bkw h ARG 80 Ca 0.25 -0.36 0.01 0.00 0.07 0.00 0.00 59.98 59.95 3bkw h ARG 80 Cb 0.08 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3bkw h ARG 80 CO -0.03 1.03 0.13 0.00 -1.07 0.00 0.00 179.97 180.02 3bkw h ALA 81 N 0.92 0.29 -0.14 0.04 0.00 -1.66 -2.32 119.26 116.39 3bkw h ALA 81 Ca 0.14 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3bkw h ALA 81 Cb 0.65 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3bkw h ALA 81 CO 0.04 -0.27 -0.00 0.00 0.00 0.00 0.00 179.25 179.03 3bkw h ARG 82 N 0.27 0.04 -0.75 0.00 3.08 -1.05 -2.67 114.38 113.32 3bkw h ARG 82 Ca 0.09 -0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.28 3bkw h ARG 82 Cb 0.00 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 29.99 3bkw h ARG 82 CO -0.05 0.03 0.50 0.00 -1.07 0.00 0.00 179.97 179.38 3bkw h ALA 83 N 1.12 2.09 0.00 0.04 0.00 -1.32 -1.82 119.26 119.38 3bkw h ALA 83 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3bkw h ALA 83 Cb 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3bkw h ALA 83 CO -0.11 -0.29 0.00 0.00 0.00 0.00 0.00 179.25 178.85 3bkw n ALA 84 N -2.52 1.63 0.00 0.00 0.00 -0.88 -5.02 120.51 113.72 3bkw n ALA 84 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3bkw n ALA 84 Cb 0.51 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.70 3bkw n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bkw n GLY 85 N -0.07 -1.42 3.93 0.00 0.00 -0.68 -5.05 105.19 101.89 3bkw n GLY 85 Ca 0.03 -1.55 -0.29 0.00 0.00 0.00 0.00 46.02 44.21 3bkw n GLY 85 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bkw s PRO 86 N -1.43 1.02 0.31 1.61 0.04 -1.26 -4.88 135.00 130.41 3bkw s PRO 86 Ca 0.00 -0.35 0.15 0.00 0.04 0.00 0.00 61.00 60.84 3bkw s PRO 86 Cb 0.00 -1.91 0.43 0.00 0.04 0.00 0.00 34.50 33.06 3bkw s PRO 86 CO 0.00 -2.15 1.62 -0.44 0.04 0.00 0.00 177.00 176.07 3bkw h ASP 87 N -1.42 0.00 -4.23 6.66 5.19 -1.95 -3.44 116.42 117.23 3bkw h ASP 87 Ca -0.44 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 55.60 3bkw h ASP 87 Cb 1.26 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 40.58 3bkw h ASP 87 CO 0.45 0.52 -0.75 0.42 -3.12 0.00 0.00 179.24 176.76 3bkw s THR 88 N -3.46 1.14 0.00 0.35 -4.23 -1.26 -4.87 115.64 103.31 3bkw s THR 88 Ca 0.00 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 3bkw s THR 88 Cb 0.11 -1.41 0.00 0.00 1.34 0.00 0.00 72.50 72.54 3bkw s THR 88 CO 0.73 -0.46 0.00 0.61 -0.54 0.00 0.00 174.62 174.96 3bkw n GLY 89 N 0.61 2.73 3.06 3.99 0.00 -1.26 -5.03 105.19 109.29 3bkw n GLY 89 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 3bkw n GLY 89 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bkw s ILE 90 N -2.52 1.65 -0.11 -0.61 1.01 -1.26 -0.85 121.20 118.51 3bkw s ILE 90 Ca 0.00 -0.70 -0.00 0.00 0.00 0.00 0.00 60.65 59.94 3bkw s ILE 90 Cb 0.00 -1.51 -0.02 0.00 0.01 0.00 0.00 42.46 40.93 3bkw s ILE 90 CO 0.00 0.47 -0.09 -0.89 0.00 0.00 0.00 174.94 174.43 3bkw s THR 91 N 1.20 3.47 -0.12 2.92 2.01 0.18 -4.99 115.64 120.31 3bkw s THR 91 Ca -0.01 -0.53 0.00 0.00 0.31 0.00 0.00 61.69 61.46 3bkw s THR 91 Cb -0.14 -2.46 -0.02 0.00 0.01 0.00 0.00 72.50 69.90 3bkw s THR 91 CO -0.06 0.54 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.98 3bkw s TYR 92 N -0.08 2.82 0.01 4.92 2.02 -1.26 -0.50 117.35 125.28 3bkw s TYR 92 Ca -0.00 -0.50 0.01 0.00 -0.37 0.00 0.00 57.07 56.20 3bkw s TYR 92 Cb -0.13 -1.81 -0.01 0.00 -0.40 0.00 0.00 41.96 39.60 3bkw s TYR 92 CO 0.03 -0.11 -0.04 -1.21 -1.57 0.00 0.00 175.55 172.66 3bkw s GLU 93 N 0.12 0.29 0.16 -0.62 2.02 -0.57 -4.97 118.70 115.13 3bkw s GLU 93 Ca -0.06 -0.37 -0.30 0.00 0.02 0.00 0.00 54.97 54.26 3bkw s GLU 93 Cb -0.15 -0.12 -0.07 0.00 0.10 0.00 0.00 34.13 33.89 3bkw s GLU 93 CO 0.04 0.02 1.09 0.50 0.02 0.00 0.00 175.26 176.94 3bkw s ARG 94 N -0.77 4.59 -0.04 1.61 3.52 -1.26 -3.05 118.95 123.55 3bkw s ARG 94 Ca -0.06 1.69 -0.22 0.00 -0.13 0.00 0.00 55.73 57.01 3bkw s ARG 94 Cb -0.05 -3.30 0.04 0.00 -1.56 0.00 0.00 34.95 30.08 3bkw s ARG 94 CO -0.00 0.05 0.48 0.00 -0.81 0.00 0.00 175.30 175.02 3bkw s ALA 95 N -0.07 -1.23 -0.35 6.12 0.00 -0.16 -4.87 121.76 121.20 3bkw s ALA 95 Ca 0.50 0.80 -0.11 0.00 0.00 0.00 0.00 51.96 53.16 3bkw s ALA 95 Cb -0.29 0.00 0.01 0.00 0.00 0.00 0.00 23.12 22.85 3bkw s ALA 95 CO 0.34 -0.31 0.19 0.34 0.00 0.00 0.00 175.76 176.32 3bkw s ASP 96 N -1.19 5.68 0.61 0.00 -1.08 -1.26 -2.72 116.67 116.70 3bkw s ASP 96 Ca -0.12 -0.80 0.37 0.00 -0.52 0.00 0.00 52.55 51.48 3bkw s ASP 96 Cb -0.03 -2.02 2.00 0.00 -1.46 0.00 0.00 42.92 41.41 3bkw s ASP 96 CO 0.07 -0.31 2.24 -0.07 0.52 0.00 0.00 175.17 177.62 3bkw h LEU 97 N 8.41 0.00 -0.98 -1.34 3.38 -1.98 -0.73 115.31 122.07 3bkw h LEU 97 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3bkw h LEU 97 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3bkw h LEU 97 CO 0.65 0.02 0.00 0.44 0.09 0.00 0.00 178.44 179.64 3bkw h ASP 98 N 0.00 0.00 -0.66 -0.43 3.32 -1.95 -3.27 116.42 113.43 3bkw h ASP 98 Ca -0.00 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 56.64 3bkw h ASP 98 Cb 0.14 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 39.27 3bkw h ASP 98 CO 0.00 0.00 -0.96 0.29 -1.72 0.00 0.00 179.24 176.85 3bkw n LYS 99 N -2.97 2.69 -2.28 3.56 5.02 -0.33 -4.98 118.16 118.87 3bkw n LYS 99 Ca 0.02 -3.86 -0.42 0.00 -2.02 0.00 0.00 58.31 52.03 3bkw n LYS 99 Cb 0.36 -1.95 -0.03 0.00 -0.02 0.00 0.00 35.03 33.39 3bkw n LYS 99 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3bkw s LEU 100 N -3.66 4.40 -0.06 -0.35 2.96 -0.93 -4.79 118.68 116.25 3bkw s LEU 100 Ca 0.40 2.27 0.04 0.00 -0.22 0.00 0.00 54.13 56.62 3bkw s LEU 100 Cb 0.37 -3.60 -0.00 0.00 0.50 0.00 0.00 46.19 43.47 3bkw s LEU 100 CO -0.01 -0.52 -0.19 -2.28 -1.32 0.00 0.00 176.35 172.04 3bkw s HIS 101 N 0.53 1.89 0.01 5.38 5.65 -1.26 -4.98 115.29 122.51 3bkw s HIS 101 Ca 0.58 -0.60 0.01 0.00 0.25 0.00 0.00 55.06 55.30 3bkw s HIS 101 Cb -0.34 -1.28 -0.01 0.00 -1.18 0.00 0.00 32.58 29.77 3bkw s HIS 101 CO 0.34 -0.22 -0.05 -0.51 -0.65 0.00 0.00 174.74 173.65 3bkw s LEU 102 N 0.14 2.08 0.40 8.88 1.43 -1.26 -5.14 118.68 125.21 3bkw s LEU 102 Ca -0.07 -0.22 -0.26 0.00 -1.03 0.00 0.00 54.13 52.55 3bkw s LEU 102 Cb -0.13 -0.18 -0.09 0.00 0.03 0.00 0.00 46.19 45.82 3bkw s LEU 102 CO 0.04 -0.04 1.26 -2.16 0.23 0.00 0.00 176.35 175.68 3bkw s PRO 103 N -0.55 4.02 0.41 1.29 0.04 -1.26 -4.78 135.00 134.17 3bkw s PRO 103 Ca -0.02 2.05 -0.25 0.00 0.04 0.00 0.00 61.00 62.82 3bkw s PRO 103 Cb -0.04 -2.75 -0.08 0.00 0.04 0.00 0.00 34.50 31.67 3bkw s PRO 103 CO -0.00 -0.42 1.21 -1.14 0.04 0.00 0.00 177.00 176.69 3bkw s GLN 104 N -2.23 3.99 -1.55 4.56 0.74 -1.26 -3.82 119.66 120.10 3bkw s GLN 104 Ca 0.56 1.92 -0.14 0.00 0.05 0.00 0.00 55.36 57.76 3bkw s GLN 104 Cb -0.36 -2.67 0.09 0.00 1.10 0.00 0.00 33.01 31.17 3bkw s GLN 104 CO 0.46 -0.39 0.95 -3.47 -0.55 0.00 0.00 175.29 172.28 3bkw n ASP 105 N 0.03 -4.45 -0.10 6.67 2.03 -0.29 -4.87 116.55 115.56 3bkw n ASP 105 Ca 0.04 -0.82 0.03 0.00 0.52 0.00 0.00 54.79 54.57 3bkw n ASP 105 Cb 0.46 -3.72 -0.01 0.00 -0.72 0.00 0.00 41.12 37.12 3bkw n ASP 105 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3bkw n SER 106 N -2.82 0.76 -4.04 1.67 7.64 0.08 -4.72 113.62 112.20 3bkw n SER 106 Ca 0.03 -0.88 -0.13 0.00 1.01 0.00 0.00 58.87 58.91 3bkw n SER 106 Cb 0.53 0.66 -0.12 0.00 -1.01 0.00 0.00 64.21 64.27 3bkw n SER 106 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3bkw s PHE 107 N -1.29 0.58 -0.12 1.43 0.08 -0.62 -4.84 117.98 113.20 3bkw s PHE 107 Ca 0.05 -0.46 0.19 0.00 0.12 0.00 0.00 56.93 56.83 3bkw s PHE 107 Cb 0.05 -0.36 -0.22 0.00 -0.57 0.00 0.00 43.02 41.93 3bkw s PHE 107 CO 0.21 -0.09 0.51 -0.25 -0.10 0.00 0.00 175.22 175.50 3bkw n ASP 108 N 1.64 0.34 -3.77 1.36 8.00 0.63 -0.87 116.55 123.88 3bkw n ASP 108 Ca -0.22 0.15 -0.13 0.00 0.71 0.00 0.00 54.79 55.30 3bkw n ASP 108 Cb 0.55 0.99 -0.14 0.00 -0.02 0.00 0.00 41.12 42.50 3bkw n ASP 108 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3bkw s LEU 109 N -5.28 0.92 -0.15 0.64 2.96 -0.97 -1.75 118.68 115.06 3bkw s LEU 109 Ca -0.06 0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 54.15 3bkw s LEU 109 Cb 0.10 0.44 -0.02 0.00 0.50 0.00 0.00 46.19 47.21 3bkw s LEU 109 CO 0.85 -0.12 -0.10 0.00 -1.32 0.00 0.00 176.35 175.66 3bkw s ALA 110 N 0.83 2.74 0.04 5.97 0.00 0.13 -1.62 121.76 129.85 3bkw s ALA 110 Ca -0.06 -0.91 0.08 0.00 0.00 0.00 0.00 51.96 51.08 3bkw s ALA 110 Cb -0.08 -1.36 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 3bkw s ALA 110 CO -0.04 0.16 -0.24 -0.47 0.00 0.00 0.00 175.76 175.17 3bkw s TYR 111 N 0.49 2.06 -0.21 0.00 5.04 0.05 -0.88 117.35 123.90 3bkw s TYR 111 Ca -0.07 -0.39 -0.08 0.00 -2.44 0.00 0.00 57.07 54.08 3bkw s TYR 111 Cb -0.15 -1.23 0.09 0.00 0.35 0.00 0.00 41.96 41.01 3bkw s TYR 111 CO 0.04 0.11 0.46 0.45 -1.34 0.00 0.00 175.55 175.27 3bkw s SER 112 N -1.21 -0.45 -0.35 4.32 0.15 -0.84 -0.48 113.70 114.84 3bkw s SER 112 Ca 0.10 1.08 -0.11 0.00 0.70 0.00 0.00 55.95 57.72 3bkw s SER 112 Cb -0.09 1.37 0.01 0.00 -1.71 0.00 0.00 66.02 65.60 3bkw s SER 112 CO 0.02 -0.22 0.19 -0.55 1.20 0.00 0.00 173.24 173.88 3bkw s SER 113 N 2.38 5.71 -1.41 5.45 0.15 -1.26 -1.20 113.70 123.52 3bkw s SER 113 Ca -0.04 -0.77 -0.06 0.00 0.70 0.00 0.00 55.95 55.78 3bkw s SER 113 Cb -0.11 -2.03 0.04 0.00 -1.71 0.00 0.00 66.02 62.21 3bkw s SER 113 CO -0.14 -0.31 0.82 0.18 1.20 0.00 0.00 173.24 174.99 3bkw n LEU 114 N 5.01 -2.83 0.00 3.45 4.77 -0.43 -4.87 117.00 122.10 3bkw n LEU 114 Ca -0.13 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 3bkw n LEU 114 Cb 0.48 -2.60 0.00 0.00 -2.33 0.00 0.00 43.42 38.96 3bkw n LEU 114 CO 0.36 0.44 -0.47 0.00 -1.33 0.00 0.00 177.39 176.39 3bkw n ALA 115 N -4.47 1.98 0.27 -1.18 0.00 -1.26 -4.84 120.51 111.01 3bkw n ALA 115 Ca -0.15 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.46 3bkw n ALA 115 Cb 0.61 0.39 0.69 0.00 0.00 0.00 0.00 19.45 21.14 3bkw n ALA 115 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3bkw h LEU 116 N 0.00 0.00 -0.33 0.00 3.38 -1.89 -2.16 115.31 114.30 3bkw h LEU 116 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3bkw h LEU 116 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3bkw h LEU 116 CO 0.00 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.57 3bkw n HIS 117 N -3.16 0.29 1.15 1.13 1.44 -1.26 -1.84 115.22 112.96 3bkw n HIS 117 Ca 0.00 0.13 0.13 0.00 -2.01 0.00 0.00 57.72 55.96 3bkw n HIS 117 Cb 0.31 -0.70 0.27 0.00 0.12 0.00 0.00 29.99 29.98 3bkw n HIS 117 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3bkw n TYR 118 N -1.78 0.04 -3.49 -1.40 4.01 -0.81 -0.24 117.16 113.49 3bkw n TYR 118 Ca 0.02 -0.02 -0.38 0.00 -0.16 0.00 0.00 57.90 57.36 3bkw n TYR 118 Cb 0.14 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.07 3bkw n TYR 118 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3bkw s VAL 119 N -1.96 5.24 0.00 -0.72 1.01 -0.77 -4.90 120.40 118.30 3bkw s VAL 119 Ca 0.32 0.39 -0.25 0.00 0.00 0.00 0.00 61.98 62.44 3bkw s VAL 119 Cb 0.20 -3.62 -0.17 0.00 0.00 0.00 0.00 36.38 32.79 3bkw s VAL 119 CO 0.31 0.21 1.25 -0.08 0.00 0.00 0.00 175.10 176.79 3bkw h GLU 120 N 8.20 -0.23 -3.56 2.72 4.22 -1.91 -3.34 114.58 120.69 3bkw h GLU 120 Ca -0.33 0.02 -0.79 0.00 0.08 0.00 0.00 59.36 58.33 3bkw h GLU 120 Cb 1.17 0.05 -0.25 0.00 0.50 0.00 0.00 28.75 30.22 3bkw h GLU 120 CO 0.61 0.12 0.83 -3.47 -2.18 0.00 0.00 179.01 174.92 3bkw n ASP 121 N -5.03 5.70 0.07 1.04 -0.08 -1.26 -4.84 116.55 112.16 3bkw n ASP 121 Ca -0.09 -3.14 -0.04 0.00 -1.51 0.00 0.00 54.79 50.01 3bkw n ASP 121 Cb 0.24 -1.39 0.18 0.00 2.34 0.00 0.00 41.12 42.49 3bkw n ASP 121 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 3bkw h VAL 122 N 3.74 1.32 -0.96 5.18 3.04 -1.93 -2.82 116.25 123.83 3bkw h VAL 122 Ca 0.23 -1.63 0.05 0.00 -1.01 0.00 0.00 66.70 64.33 3bkw h VAL 122 Cb 0.78 1.73 -0.06 0.00 -2.01 0.00 0.00 31.29 31.72 3bkw h VAL 122 CO 1.20 0.49 0.62 0.00 -1.01 0.00 0.00 177.57 178.87 3bkw h ALA 123 N 1.27 1.29 -0.28 3.17 0.00 -1.93 0.39 119.26 123.18 3bkw h ALA 123 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3bkw h ALA 123 Cb 0.90 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3bkw h ALA 123 CO 0.07 0.46 0.18 -0.09 0.00 0.00 0.00 179.25 179.87 3bkw h ARG 124 N 1.17 0.37 -0.55 0.00 2.43 -1.92 -0.85 114.38 115.03 3bkw h ARG 124 Ca 0.40 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.56 3bkw h ARG 124 Cb 0.08 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 3bkw h ARG 124 CO -0.14 0.26 0.34 1.25 -1.51 0.00 0.00 179.97 180.17 3bkw h LEU 125 N 0.36 0.56 -0.67 3.80 6.46 -1.26 -1.55 115.31 123.02 3bkw h LEU 125 Ca 0.10 -0.00 0.04 0.00 -0.12 0.00 0.00 57.88 57.89 3bkw h LEU 125 Cb -0.02 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 39.74 3bkw h LEU 125 CO -0.02 0.39 0.41 -0.26 -0.62 0.00 0.00 178.44 178.34 3bkw h PHE 126 N 0.68 0.76 -0.66 1.25 0.04 -0.48 0.07 116.94 118.59 3bkw h PHE 126 Ca 0.22 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.97 3bkw h PHE 126 Cb -0.00 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 37.87 3bkw h PHE 126 CO -0.06 0.42 0.25 0.00 -0.60 0.00 0.00 178.31 178.32 3bkw h ARG 127 N 0.78 0.97 -0.30 1.51 3.08 -0.80 0.92 114.38 120.55 3bkw h ARG 127 Ca 0.27 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 3bkw h ARG 127 Cb 0.06 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3bkw h ARG 127 CO -0.12 0.80 0.05 1.15 -1.07 0.00 0.00 179.97 180.78 3bkw h THR 128 N 0.95 1.23 -0.58 2.04 2.02 -0.72 -2.18 112.91 115.68 3bkw h THR 128 Ca 0.22 -0.80 -0.04 0.00 0.77 0.00 0.00 66.41 66.56 3bkw h THR 128 Cb 0.20 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 3bkw h THR 128 CO -0.02 0.26 0.22 0.58 0.37 0.00 0.00 175.52 176.93 3bkw h VAL 129 N 0.32 1.23 -0.28 3.16 2.07 -0.76 -2.34 116.25 119.65 3bkw h VAL 129 Ca 0.09 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 66.92 3bkw h VAL 129 Cb 0.34 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 3bkw h VAL 129 CO 0.01 0.28 0.02 -0.74 0.02 0.00 0.00 177.57 177.16 3bkw h HIS 130 N 0.81 0.02 0.00 1.57 6.17 -0.62 -1.83 115.15 121.26 3bkw h HIS 130 Ca 0.19 0.02 -0.07 0.00 0.71 0.00 0.00 60.37 61.22 3bkw h HIS 130 Cb 0.23 0.03 -0.01 0.00 2.52 0.00 0.00 27.41 30.18 3bkw h HIS 130 CO 0.01 -0.02 -0.32 -0.56 0.71 0.00 0.00 177.93 177.75 3bkw h GLN 131 N 0.11 0.00 0.00 5.26 -0.00 -1.30 -2.74 115.11 116.44 3bkw h GLN 131 Ca 0.13 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.71 3bkw h GLN 131 Cb 0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.63 3bkw h GLN 131 CO -0.21 0.32 -0.34 0.00 -0.00 0.00 0.00 178.83 178.61 3bkw h ALA 132 N 1.68 0.95 -2.71 0.06 0.00 -0.85 -0.77 119.26 117.62 3bkw h ALA 132 Ca -0.00 -0.31 -0.54 0.00 0.00 0.00 0.00 54.91 54.06 3bkw h ALA 132 Cb 0.67 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3bkw h ALA 132 CO 0.04 0.42 0.15 -0.51 0.00 0.00 0.00 179.25 179.36 3bkw s LEU 133 N -6.85 4.56 0.60 0.00 1.43 -0.74 -0.74 118.68 116.93 3bkw s LEU 133 Ca 0.01 1.56 -0.15 0.00 -1.03 0.00 0.00 54.13 54.53 3bkw s LEU 133 Cb 0.10 -3.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.05 3bkw s LEU 133 CO 0.68 0.18 1.04 -0.44 0.23 0.00 0.00 176.35 178.04 3bkw s SER 134 N -0.91 5.91 0.17 2.29 0.01 -0.05 -4.44 113.70 116.68 3bkw s SER 134 Ca 0.36 1.70 -0.33 0.00 1.31 0.00 0.00 55.95 58.98 3bkw s SER 134 Cb -0.22 -2.52 -0.15 0.00 0.21 0.00 0.00 66.02 63.34 3bkw s SER 134 CO 0.25 -1.08 1.27 -2.65 0.41 0.00 0.00 173.24 171.44 3bkw n PRO 135 N -2.21 1.40 -0.87 12.44 -0.02 -1.26 -0.74 135.00 143.75 3bkw n PRO 135 Ca 0.08 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3bkw n PRO 135 Cb 0.53 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 3bkw n PRO 135 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bkw n GLY 136 N 2.23 0.88 3.80 -1.23 0.00 -1.26 -5.04 105.19 104.56 3bkw n GLY 136 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3bkw n GLY 136 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bkw s GLY 137 N -1.89 1.63 0.19 -0.02 0.00 0.09 -4.72 107.32 102.60 3bkw s GLY 137 Ca 0.00 -0.18 0.10 0.00 0.00 0.00 0.00 44.72 44.65 3bkw s GLY 137 CO 0.00 0.24 -0.21 0.30 0.00 0.00 0.00 173.10 173.43 3bkw s HIS 138 N -3.14 2.11 -0.17 1.90 3.76 -0.72 -0.99 115.29 118.05 3bkw s HIS 138 Ca 0.61 -0.40 -0.00 0.00 -0.15 0.00 0.00 55.06 55.12 3bkw s HIS 138 Cb -0.14 -1.03 0.04 0.00 1.11 0.00 0.00 32.58 32.55 3bkw s HIS 138 CO 0.54 0.45 -0.08 0.12 -0.85 0.00 0.00 174.74 174.93 3bkw s PHE 139 N -1.89 1.91 -0.14 1.40 5.36 -0.04 -0.69 117.98 123.89 3bkw s PHE 139 Ca 0.19 -1.19 0.01 0.00 -0.96 0.00 0.00 56.93 54.98 3bkw s PHE 139 Cb -0.07 -1.42 0.02 0.00 -0.34 0.00 0.00 43.02 41.21 3bkw s PHE 139 CO 0.09 -0.64 -0.15 0.08 -1.46 0.00 0.00 175.22 173.14 3bkw s VAL 140 N 1.57 1.58 0.06 3.12 1.01 -0.06 -0.94 120.40 126.74 3bkw s VAL 140 Ca 0.01 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 3bkw s VAL 140 Cb -0.15 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.78 3bkw s VAL 140 CO -0.08 0.46 0.26 0.72 0.00 0.00 0.00 175.10 176.45 3bkw s PHE 141 N 1.29 -0.01 0.03 5.22 -0.12 -0.23 -1.99 117.98 122.18 3bkw s PHE 141 Ca 0.01 -0.25 0.08 0.00 -0.05 0.00 0.00 56.93 56.72 3bkw s PHE 141 Cb -0.14 0.04 -0.03 0.00 -0.63 0.00 0.00 43.02 42.27 3bkw s PHE 141 CO -0.07 -0.52 -0.21 -1.54 -0.05 0.00 0.00 175.22 172.82 3bkw s SER 142 N -2.37 3.55 0.12 1.98 1.04 -0.34 -1.12 113.70 116.56 3bkw s SER 142 Ca -0.01 -0.47 -0.03 0.00 0.48 0.00 0.00 55.95 55.91 3bkw s SER 142 Cb 0.01 -0.50 -0.03 0.00 0.10 0.00 0.00 66.02 65.60 3bkw s SER 142 CO -0.07 0.27 0.09 0.42 0.98 0.00 0.00 173.24 174.93 3bkw s THR 143 N -0.85 0.12 0.31 2.02 -4.23 -0.41 -1.31 115.64 111.28 3bkw s THR 143 Ca 0.13 -1.75 -0.29 0.00 -1.18 0.00 0.00 61.69 58.60 3bkw s THR 143 Cb -0.10 -1.85 -0.11 0.00 1.34 0.00 0.00 72.50 71.78 3bkw s THR 143 CO 0.03 -0.56 1.52 -1.61 -0.54 0.00 0.00 174.62 173.46 3bkw s GLU 144 N -3.99 4.16 0.36 3.99 2.02 -1.26 -0.61 118.70 123.37 3bkw s GLU 144 Ca 0.18 2.50 -0.26 0.00 0.02 0.00 0.00 54.97 57.40 3bkw s GLU 144 Cb 0.07 -3.03 -0.09 0.00 0.10 0.00 0.00 34.13 31.18 3bkw s GLU 144 CO -0.02 -0.53 1.13 -1.58 0.02 0.00 0.00 175.26 174.27 3bkw s HIS 145 N -0.36 3.26 0.56 1.61 5.65 -1.26 -4.53 115.29 120.21 3bkw s HIS 145 Ca 0.59 1.61 0.24 0.00 0.25 0.00 0.00 55.06 57.75 3bkw s HIS 145 Cb -0.46 -3.32 1.53 0.00 -1.18 0.00 0.00 32.58 29.16 3bkw s HIS 145 CO 0.51 -0.96 2.13 -1.00 -0.65 0.00 0.00 174.74 174.77 3bkw h PRO 146 N 3.00 0.00 -0.81 2.88 0.13 -1.92 -1.48 132.00 133.80 3bkw h PRO 146 Ca -0.48 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.67 3bkw h PRO 146 Cb 1.22 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 3bkw h PRO 146 CO 0.64 0.00 0.53 0.82 -0.23 0.00 0.00 178.00 179.76 3bkw h ILE 147 N 0.00 1.17 0.00 -3.56 2.04 -1.92 0.13 117.51 115.37 3bkw h ILE 147 Ca 0.07 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3bkw h ILE 147 Cb 0.32 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 3bkw h ILE 147 CO -0.00 0.19 0.00 0.00 0.00 0.00 0.00 178.15 178.34 3bkw n TYR 148 N -4.54 0.00 0.00 1.37 9.36 -0.56 -4.48 117.16 118.31 3bkw n TYR 148 Ca 0.09 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.31 3bkw n TYR 148 Cb 0.05 -0.05 0.00 0.00 -0.63 0.00 0.00 39.34 38.70 3bkw n TYR 148 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3bkw n ALA 150 N 0.17 0.00 -1.77 2.98 0.00 0.46 -4.95 120.51 117.41 3bkw n ALA 150 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 3bkw n ALA 150 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 3bkw n ALA 150 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3bkw s PRO 151 N 0.00 3.84 0.30 0.00 0.02 -1.25 -4.68 135.00 133.23 3bkw s PRO 151 Ca 0.00 2.23 0.04 0.00 0.02 0.00 0.00 61.00 63.29 3bkw s PRO 151 Cb 0.00 -2.69 0.48 0.00 0.02 0.00 0.00 34.50 32.31 3bkw s PRO 151 CO 0.00 -0.63 1.76 0.00 -0.33 0.00 0.00 177.00 177.81 3bkw h ALA 152 N 2.49 1.18 -2.59 -1.55 0.00 -1.94 -3.33 119.26 113.53 3bkw h ALA 152 Ca -0.50 -0.31 -0.60 0.00 0.00 0.00 0.00 54.91 53.50 3bkw h ALA 152 Cb 1.25 -0.12 -0.40 0.00 0.00 0.00 0.00 17.79 18.52 3bkw h ALA 152 CO 0.62 0.52 -0.76 0.54 0.00 0.00 0.00 179.25 180.17 3bkw n ARG 153 N -4.15 1.33 -2.26 0.00 1.74 -1.26 -4.91 116.66 107.15 3bkw n ARG 153 Ca -0.00 -3.98 -0.39 0.00 -0.77 0.00 0.00 57.85 52.71 3bkw n ARG 153 Cb 0.37 -1.97 -0.02 0.00 -1.02 0.00 0.00 32.46 29.81 3bkw n ARG 153 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3bkw s PRO 154 N -1.15 4.21 0.00 5.56 0.04 -1.25 -4.96 135.00 137.45 3bkw s PRO 154 Ca 0.31 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.30 3bkw s PRO 154 Cb 0.04 -2.86 0.00 0.00 0.04 0.00 0.00 34.50 31.72 3bkw s PRO 154 CO -0.15 -0.21 0.00 0.41 0.04 0.00 0.00 177.00 177.09 3bkw n GLY 155 N 0.77 2.21 3.80 0.56 0.00 -1.26 -5.13 105.19 106.14 3bkw n GLY 155 Ca 0.02 -1.10 -0.35 0.00 0.00 0.00 0.00 46.02 44.59 3bkw n GLY 155 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3bkw s TRP 156 N -2.00 3.53 0.01 1.61 0.52 -1.26 -4.25 118.94 117.10 3bkw s TRP 156 Ca 0.00 1.68 0.07 0.00 0.02 0.00 0.00 56.10 57.88 3bkw s TRP 156 Cb 0.00 -2.87 -0.02 0.00 -1.15 0.00 0.00 33.47 29.43 3bkw s TRP 156 CO 0.00 0.09 -0.22 0.00 0.02 0.00 0.00 176.95 176.83 3bkw s ALA 157 N -1.85 1.89 -0.30 0.98 0.00 0.25 -4.98 121.76 117.76 3bkw s ALA 157 Ca 0.55 -1.05 -0.06 0.00 0.00 0.00 0.00 51.96 51.40 3bkw s ALA 157 Cb -0.14 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.56 3bkw s ALA 157 CO 0.19 0.45 0.06 0.42 0.00 0.00 0.00 175.76 176.88 3bkw s ILE 158 N -0.66 3.77 1.08 0.00 1.09 -1.26 -0.32 121.20 124.90 3bkw s ILE 158 Ca 0.09 -0.83 -0.18 0.00 -1.10 0.00 0.00 60.65 58.63 3bkw s ILE 158 Cb -0.09 -2.98 0.24 0.00 -1.06 0.00 0.00 42.46 38.58 3bkw s ILE 158 CO 0.01 0.05 1.22 1.51 -0.10 0.00 0.00 174.94 177.62 3bkw s ASP 159 N 1.45 2.04 0.38 3.58 1.47 -0.62 -4.87 116.67 120.11 3bkw s ASP 159 Ca 0.01 0.43 0.14 0.00 1.18 0.00 0.00 52.55 54.31 3bkw s ASP 159 Cb -0.18 -0.56 0.98 0.00 -0.34 0.00 0.00 42.92 42.82 3bkw s ASP 159 CO 0.01 -3.41 1.82 0.00 0.68 0.00 0.00 175.17 174.28 3bkw h ALA 160 N -2.10 2.05 -0.00 2.11 0.00 -1.99 -1.14 119.26 118.18 3bkw h ALA 160 Ca -0.44 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3bkw h ALA 160 Cb 1.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3bkw h ALA 160 CO 0.36 -0.37 -0.04 0.39 0.00 0.00 0.00 179.25 179.59 3bkw n GLU 161 N -4.59 0.82 -0.68 0.00 1.02 -1.26 -4.91 120.64 111.03 3bkw n GLU 161 Ca 0.21 -0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3bkw n GLU 161 Cb 0.67 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 3bkw n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bkw n GLY 162 N 1.19 0.68 3.74 0.62 0.00 -0.43 -5.06 105.19 105.93 3bkw n GLY 162 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3bkw n GLY 162 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3bkw s ARG 163 N -0.32 4.73 0.03 1.61 3.52 -1.26 -4.79 118.95 122.47 3bkw s ARG 163 Ca 0.00 1.41 -0.30 0.00 -0.13 0.00 0.00 55.73 56.71 3bkw s ARG 163 Cb 0.00 -3.33 -0.04 0.00 -1.56 0.00 0.00 34.95 30.02 3bkw s ARG 163 CO 0.00 0.36 1.11 0.50 -0.81 0.00 0.00 175.30 176.46 3bkw s ARG 164 N -0.52 4.48 0.12 5.12 3.52 -1.26 -1.58 118.95 128.81 3bkw s ARG 164 Ca 0.43 1.62 0.02 0.00 -0.13 0.00 0.00 55.73 57.67 3bkw s ARG 164 Cb -0.24 -3.41 -0.04 0.00 -1.56 0.00 0.00 34.95 29.70 3bkw s ARG 164 CO 0.30 -0.19 -0.04 0.95 -0.81 0.00 0.00 175.30 175.50 3bkw s THR 165 N 1.14 0.66 -0.41 4.11 -4.23 0.57 -4.98 115.64 112.51 3bkw s THR 165 Ca 0.56 -1.94 0.04 0.00 -1.18 0.00 0.00 61.69 59.16 3bkw s THR 165 Cb -0.26 -1.80 0.11 0.00 1.34 0.00 0.00 72.50 71.90 3bkw s THR 165 CO 0.28 -0.76 0.14 0.86 -0.54 0.00 0.00 174.62 174.59 3bkw s TRP 166 N -3.65 3.29 0.15 3.99 -0.11 -1.26 -0.58 118.94 120.77 3bkw s TRP 166 Ca 0.15 -2.93 -0.31 0.00 1.22 0.00 0.00 56.10 54.22 3bkw s TRP 166 Cb 0.06 -2.73 -0.09 0.00 -1.50 0.00 0.00 33.47 29.20 3bkw s TRP 166 CO -0.02 -0.86 1.50 -2.14 -4.62 0.00 0.00 176.95 170.80 3bkw s PRO 167 N 0.50 4.26 -0.10 5.86 0.02 -1.26 -5.02 135.00 139.26 3bkw s PRO 167 Ca 0.13 2.25 -0.00 0.00 0.02 0.00 0.00 61.00 63.40 3bkw s PRO 167 Cb -0.22 -3.19 -0.03 0.00 0.02 0.00 0.00 34.50 31.09 3bkw s PRO 167 CO -0.06 -0.54 -0.07 0.42 -0.33 0.00 0.00 177.00 176.42 3bkw s ILE 168 N 1.11 3.65 0.05 2.83 1.01 -1.26 -4.76 121.20 123.83 3bkw s ILE 168 Ca 0.68 -0.48 -0.00 0.00 0.00 0.00 0.00 60.65 60.85 3bkw s ILE 168 Cb -0.41 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 3bkw s ILE 168 CO 0.31 0.56 -0.04 1.51 0.00 0.00 0.00 174.94 177.28 3bkw s ASP 169 N -0.33 0.58 -1.03 3.58 -4.77 -1.26 -4.93 116.67 108.51 3bkw s ASP 169 Ca 0.05 -0.94 -0.04 0.00 -3.30 0.00 0.00 52.55 48.32 3bkw s ASP 169 Cb -0.13 0.17 0.03 0.00 -1.09 0.00 0.00 42.92 41.91 3bkw s ASP 169 CO 0.02 -0.54 0.21 0.54 0.70 0.00 0.00 175.17 176.11 3bkw n ARG 170 N 0.28 -2.80 -0.14 2.11 1.74 -1.26 -3.75 116.66 112.83 3bkw n ARG 170 Ca -0.15 0.46 0.08 0.00 -0.77 0.00 0.00 57.85 57.47 3bkw n ARG 170 Cb 0.60 -5.10 0.40 0.00 -1.02 0.00 0.00 32.46 27.35 3bkw n ARG 170 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 3bkw h TYR 171 N -0.42 0.65 -0.11 -1.55 3.20 -1.92 -1.75 116.97 115.07 3bkw h TYR 171 Ca -0.32 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.57 3bkw h TYR 171 Cb 1.22 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.28 3bkw h TYR 171 CO 0.71 0.34 0.00 1.28 -1.64 0.00 0.00 178.16 178.85 3bkw n LEU 172 N -4.48 1.82 -4.35 2.82 7.99 -1.26 -4.70 117.00 114.84 3bkw n LEU 172 Ca 0.10 -0.69 -0.45 0.00 -0.01 0.00 0.00 56.01 54.95 3bkw n LEU 172 Cb 0.26 -0.06 -0.06 0.00 -0.11 0.00 0.00 43.42 43.45 3bkw n LEU 172 CO 0.34 0.35 0.13 -0.69 -1.51 0.00 0.00 177.39 176.00 3bkw s VAL 173 N -1.87 5.18 0.39 4.08 1.01 -0.66 -5.05 120.40 123.48 3bkw s VAL 173 Ca 0.35 -1.28 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 3bkw s VAL 173 Cb 0.19 -4.27 -0.06 0.00 0.00 0.00 0.00 36.38 32.24 3bkw s VAL 173 CO 0.30 -0.78 0.75 -1.61 0.00 0.00 0.00 175.10 173.76 3bkw s GLU 174 N 1.72 3.78 0.00 2.72 2.02 -1.26 -4.98 118.70 122.70 3bkw s GLU 174 Ca 0.04 0.45 0.00 0.00 0.02 0.00 0.00 54.97 55.49 3bkw s GLU 174 Cb -0.27 -2.41 0.00 0.00 0.10 0.00 0.00 34.13 31.55 3bkw s GLU 174 CO 0.05 -0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.73 3bkw n GLY 175 N -1.22 0.48 3.77 -1.39 0.00 -0.81 -5.00 105.19 101.03 3bkw n GLY 175 Ca 0.02 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 3bkw n GLY 175 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3bkw s PRO 176 N -1.43 4.08 -0.09 1.61 0.02 -1.26 -1.05 135.00 136.89 3bkw s PRO 176 Ca 0.00 2.44 0.05 0.00 0.02 0.00 0.00 61.00 63.50 3bkw s PRO 176 Cb 0.00 -2.92 -0.00 0.00 0.02 0.00 0.00 34.50 31.59 3bkw s PRO 176 CO 0.00 -0.50 -0.24 1.03 -0.33 0.00 0.00 177.00 176.96 3bkw s ARG 177 N -2.10 2.83 -0.18 5.54 1.81 0.73 -4.87 118.95 122.71 3bkw s ARG 177 Ca 0.54 -0.86 0.16 0.00 -1.72 0.00 0.00 55.73 53.84 3bkw s ARG 177 Cb -0.44 -2.21 0.68 0.00 -0.45 0.00 0.00 34.95 32.53 3bkw s ARG 177 CO 0.59 0.23 1.60 1.63 -0.68 0.00 0.00 175.30 178.66 3bkw n LYS 178 N 3.36 3.92 0.26 3.54 5.02 -1.26 -2.18 118.16 130.83 3bkw n LYS 178 Ca -0.19 -2.94 0.17 0.00 -2.02 0.00 0.00 58.31 53.33 3bkw n LYS 178 Cb 0.53 -2.00 0.73 0.00 -0.02 0.00 0.00 35.03 34.26 3bkw n LYS 178 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3bkw h THR 179 N 3.22 0.00 -0.38 -0.18 1.35 -1.90 -1.51 112.91 113.51 3bkw h THR 179 Ca 0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 3bkw h THR 179 Cb 1.63 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 3bkw h THR 179 CO 0.32 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 176.06 3bkw n ASP 180 N -2.92 3.04 0.02 5.36 8.00 -1.26 -4.73 116.55 124.05 3bkw n ASP 180 Ca 0.00 -2.03 -0.12 0.00 0.71 0.00 0.00 54.79 53.35 3bkw n ASP 180 Cb 0.25 -0.26 -0.08 0.00 -0.02 0.00 0.00 41.12 41.01 3bkw n ASP 180 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 3bkw h TRP 181 N 2.20 0.01 0.16 1.24 2.91 -1.13 -0.18 115.95 121.15 3bkw h TRP 181 Ca 0.00 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.01 3bkw h TRP 181 Cb 0.77 -0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.42 3bkw h TRP 181 CO 0.26 0.21 -0.07 -0.07 -1.03 0.00 0.00 178.44 177.74 3bkw h LEU 182 N -0.20 -0.18 -0.33 0.65 3.38 -1.85 0.11 115.31 116.89 3bkw h LEU 182 Ca 0.00 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 3bkw h LEU 182 Cb 0.21 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3bkw h LEU 182 CO -0.00 0.03 -0.21 0.00 0.09 0.00 0.00 178.44 178.35 3bkw h ALA 183 N 0.44 0.48 0.00 1.53 0.00 -1.87 -3.37 119.26 116.45 3bkw h ALA 183 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3bkw h ALA 183 Cb 0.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3bkw h ALA 183 CO 0.04 0.43 -0.67 1.63 0.00 0.00 0.00 179.25 180.68 3bkw n LYS 184 N -4.29 3.16 -2.21 0.00 5.02 -0.10 -5.03 118.16 114.72 3bkw n LYS 184 Ca -0.03 -0.02 -0.11 0.00 -2.02 0.00 0.00 58.31 56.13 3bkw n LYS 184 Cb 0.43 -0.93 -0.00 0.00 -0.02 0.00 0.00 35.03 34.50 3bkw n LYS 184 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3bkw n GLY 185 N 1.51 -0.08 3.17 0.72 0.00 0.38 -4.99 105.19 105.90 3bkw n GLY 185 Ca 0.00 -0.43 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 3bkw n GLY 185 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bkw s VAL 186 N -2.54 1.25 -0.18 1.61 -7.23 -1.25 -4.98 120.40 107.08 3bkw s VAL 186 Ca 0.00 -1.10 -0.04 0.00 -1.81 0.00 0.00 61.98 59.03 3bkw s VAL 186 Cb -0.00 -1.13 -0.02 0.00 0.56 0.00 0.00 36.38 35.79 3bkw s VAL 186 CO 0.00 0.01 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.08 3bkw s VAL 187 N -0.91 3.73 0.27 1.32 1.01 -1.26 -2.88 120.40 121.68 3bkw s VAL 187 Ca 0.03 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.68 3bkw s VAL 187 Cb -0.08 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 3bkw s VAL 187 CO 0.02 0.46 0.18 -1.59 0.00 0.00 0.00 175.10 174.17 3bkw s LYS 188 N 0.74 2.81 -0.29 2.72 -2.85 -0.93 -4.64 119.74 117.31 3bkw s LYS 188 Ca -0.02 -1.14 -0.00 0.00 -1.00 0.00 0.00 55.97 53.81 3bkw s LYS 188 Cb -0.14 -2.49 0.05 0.00 -2.06 0.00 0.00 37.83 33.18 3bkw s LYS 188 CO 0.02 0.35 -0.03 -1.01 0.10 0.00 0.00 175.35 174.78 3bkw s HIS 189 N -2.19 3.25 -0.21 1.78 3.76 0.66 -0.19 115.29 122.16 3bkw s HIS 189 Ca 0.34 -1.97 -0.29 0.00 -0.15 0.00 0.00 55.06 52.98 3bkw s HIS 189 Cb -0.07 -2.06 0.00 0.00 1.11 0.00 0.00 32.58 31.56 3bkw s HIS 189 CO 0.24 -0.82 1.12 -1.58 -0.85 0.00 0.00 174.74 172.86 3bkw s HIS 190 N 1.22 3.15 -0.01 1.40 2.46 -0.22 -4.89 115.29 118.41 3bkw s HIS 190 Ca -0.06 1.30 0.00 0.00 0.47 0.00 0.00 55.06 56.77 3bkw s HIS 190 Cb -0.20 -3.36 0.01 0.00 -0.13 0.00 0.00 32.58 28.90 3bkw s HIS 190 CO -0.02 -0.94 -0.01 1.03 -2.47 0.00 0.00 174.74 172.32 3bkw s ARG 191 N 3.31 0.15 0.87 2.88 0.52 -1.26 -1.93 118.95 123.48 3bkw s ARG 191 Ca 0.48 -0.02 -0.11 0.00 -0.52 0.00 0.00 55.73 55.55 3bkw s ARG 191 Cb -0.18 -0.19 0.11 0.00 0.52 0.00 0.00 34.95 35.21 3bkw s ARG 191 CO 0.09 -0.00 1.09 0.95 0.02 0.00 0.00 175.30 177.45 3bkw s THR 192 N 0.19 2.81 0.18 0.02 -4.23 -1.26 -4.48 115.64 108.86 3bkw s THR 192 Ca -0.02 0.26 -0.13 0.00 -1.18 0.00 0.00 61.69 60.62 3bkw s THR 192 Cb -0.03 -2.76 0.07 0.00 1.34 0.00 0.00 72.50 71.11 3bkw s THR 192 CO -0.01 -0.34 1.77 0.58 -0.54 0.00 0.00 174.62 176.09 3bkw h VAL 193 N -1.44 0.92 -0.62 2.29 2.07 -1.99 -2.02 116.25 115.46 3bkw h VAL 193 Ca -0.48 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 66.93 3bkw h VAL 193 Cb 1.27 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 3bkw h VAL 193 CO 0.54 0.08 0.36 1.23 0.02 0.00 0.00 177.57 179.80 3bkw h GLY 194 N 0.44 0.89 0.91 2.17 0.00 -1.99 -0.94 103.07 104.55 3bkw h GLY 194 Ca 0.22 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.30 3bkw h GLY 194 CO -0.17 0.20 0.18 -0.84 0.00 0.00 0.00 176.54 175.90 3bkw h THR 195 N 0.69 1.02 -0.18 4.70 2.02 -1.82 0.17 112.91 119.52 3bkw h THR 195 Ca 0.26 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.31 3bkw h THR 195 Cb 0.09 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3bkw h THR 195 CO -0.13 0.07 0.12 0.74 0.37 0.00 0.00 175.52 176.68 3bkw h THR 196 N 0.37 1.06 -0.42 3.16 2.02 -1.03 -1.50 112.91 116.58 3bkw h THR 196 Ca 0.13 -0.12 -0.09 0.00 0.77 0.00 0.00 66.41 67.10 3bkw h THR 196 Cb 0.01 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 3bkw h THR 196 CO -0.07 0.05 -0.09 -0.07 0.37 0.00 0.00 175.52 175.72 3bkw h LEU 197 N 0.24 0.80 -1.12 2.58 3.38 -0.95 -2.13 115.31 118.10 3bkw h LEU 197 Ca 0.07 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 3bkw h LEU 197 Cb -0.01 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 3bkw h LEU 197 CO -0.01 0.97 0.31 0.78 0.09 0.00 0.00 178.44 180.57 3bkw h ASN 198 N 0.62 0.84 -0.65 -0.43 2.35 -0.61 -0.99 115.58 116.71 3bkw h ASN 198 Ca 0.11 -0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 55.70 3bkw h ASN 198 Cb 0.61 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.74 3bkw h ASN 198 CO 0.04 0.71 0.12 0.00 -1.65 0.00 0.00 177.43 176.65 3bkw h ALA 199 N 1.42 0.86 -0.35 -0.83 0.00 -1.13 0.39 119.26 119.62 3bkw h ALA 199 Ca 0.23 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3bkw h ALA 199 Cb 0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3bkw h ALA 199 CO -0.03 0.61 0.22 -0.07 0.00 0.00 0.00 179.25 179.98 3bkw h LEU 200 N 0.98 0.41 -0.17 0.00 3.38 -0.93 -1.43 115.31 117.55 3bkw h LEU 200 Ca 0.20 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3bkw h LEU 200 Cb 0.42 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3bkw h LEU 200 CO 0.01 0.32 0.07 0.40 0.09 0.00 0.00 178.44 179.34 3bkw h ILE 201 N 0.46 1.15 -0.18 1.22 2.04 -0.89 -1.65 117.51 119.65 3bkw h ILE 201 Ca 0.13 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 3bkw h ILE 201 Cb -0.02 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 3bkw h ILE 201 CO -0.02 0.14 0.06 -0.09 0.00 0.00 0.00 178.15 178.24 3bkw h ARG 202 N 0.13 0.25 0.00 2.37 2.43 -0.88 -1.58 114.38 117.09 3bkw h ARG 202 Ca 0.06 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3bkw h ARG 202 Cb 0.16 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3bkw h ARG 202 CO -0.01 0.22 0.00 0.43 -1.51 0.00 0.00 179.97 179.10 3bkw n SER 203 N -4.45 0.00 0.00 -3.80 7.64 -0.55 -4.91 113.62 107.56 3bkw n SER 203 Ca -0.00 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.04 3bkw n SER 203 Cb 0.12 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 3bkw n SER 203 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3bkw n GLY 204 N 0.83 0.87 3.88 0.23 0.00 -0.59 -4.75 105.19 105.66 3bkw n GLY 204 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 3bkw n GLY 204 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bkw s PHE 205 N -2.00 3.43 -0.17 1.61 0.08 -0.66 -4.76 117.98 115.52 3bkw s PHE 205 Ca 0.00 0.86 -0.09 0.00 0.12 0.00 0.00 56.93 57.82 3bkw s PHE 205 Cb 0.00 -2.25 -0.05 0.00 -0.57 0.00 0.00 43.02 40.15 3bkw s PHE 205 CO 0.00 0.23 0.13 0.00 -0.10 0.00 0.00 175.22 175.48 3bkw s ALA 206 N -1.88 3.73 0.02 5.36 0.00 0.70 -4.04 121.76 125.65 3bkw s ALA 206 Ca 0.47 -0.68 -0.30 0.00 0.00 0.00 0.00 51.96 51.45 3bkw s ALA 206 Cb -0.11 -2.08 -0.05 0.00 0.00 0.00 0.00 23.12 20.88 3bkw s ALA 206 CO 0.23 0.32 1.26 0.42 0.00 0.00 0.00 175.76 177.99 3bkw s ILE 207 N -0.12 3.96 -0.22 0.00 -1.09 -1.26 -0.75 121.20 121.72 3bkw s ILE 207 Ca 0.10 1.36 0.00 0.00 -2.23 0.00 0.00 60.65 59.88 3bkw s ILE 207 Cb -0.11 -3.87 -0.14 0.00 -1.58 0.00 0.00 42.46 36.75 3bkw s ILE 207 CO 0.00 0.05 -0.21 1.21 -1.23 0.00 0.00 174.94 174.76 3bkw n GLU 208 N 4.63 0.54 -3.64 2.79 2.13 -0.04 -4.91 120.64 122.15 3bkw n GLU 208 Ca 0.11 0.14 -0.12 0.00 0.66 0.00 0.00 57.16 57.94 3bkw n GLU 208 Cb 0.45 -1.42 -0.07 0.00 0.27 0.00 0.00 31.44 30.67 3bkw n GLU 208 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 3bkw s HIS 209 N -2.44 -0.84 -0.07 4.31 5.04 -0.90 -4.98 115.29 115.40 3bkw s HIS 209 Ca -0.30 1.94 0.01 0.00 -1.54 0.00 0.00 55.06 55.17 3bkw s HIS 209 Cb 0.08 0.35 0.02 0.00 0.04 0.00 0.00 32.58 33.08 3bkw s HIS 209 CO 0.49 -0.41 -0.08 0.08 -2.34 0.00 0.00 174.74 172.48 3bkw s VAL 210 N 0.69 0.91 -0.05 0.89 1.01 -1.26 -1.04 120.40 121.55 3bkw s VAL 210 Ca -0.03 -0.30 -0.00 0.00 0.00 0.00 0.00 61.98 61.65 3bkw s VAL 210 Cb -0.05 -0.89 0.03 0.00 0.00 0.00 0.00 36.38 35.47 3bkw s VAL 210 CO -0.04 0.32 -0.00 -0.70 0.00 0.00 0.00 175.10 174.68 3bkw s GLU 211 N 1.09 0.47 -0.49 2.72 2.12 0.26 -5.00 118.70 119.87 3bkw s GLU 211 Ca -0.07 0.08 -0.18 0.00 0.36 0.00 0.00 54.97 55.15 3bkw s GLU 211 Cb -0.14 -0.70 0.05 0.00 0.26 0.00 0.00 34.13 33.60 3bkw s GLU 211 CO -0.01 -0.19 0.57 -1.21 -0.54 0.00 0.00 175.26 173.88 3bkw s GLU 212 N 1.38 3.11 0.23 4.30 2.02 -1.26 -0.17 118.70 128.31 3bkw s GLU 212 Ca -0.04 -0.90 -0.32 0.00 0.02 0.00 0.00 54.97 53.73 3bkw s GLU 212 Cb -0.13 -4.08 -0.13 0.00 0.10 0.00 0.00 34.13 29.89 3bkw s GLU 212 CO -0.02 -1.13 1.42 0.34 0.02 0.00 0.00 175.26 175.89 3bkw n PHE 213 N 5.96 2.17 -3.83 1.61 7.35 -0.84 -5.00 117.46 124.88 3bkw n PHE 213 Ca -0.07 0.42 -0.21 0.00 -0.76 0.00 0.00 57.45 56.83 3bkw n PHE 213 Cb 0.46 -2.47 -0.17 0.00 0.35 0.00 0.00 39.48 37.65 3bkw n PHE 213 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3bkw s PRO 215 N 1.67 3.14 0.68 0.00 0.04 -1.26 -5.01 135.00 134.27 3bkw s PRO 215 Ca -0.00 1.74 -0.11 0.00 0.04 0.00 0.00 61.00 62.67 3bkw s PRO 215 Cb -0.13 -1.97 -0.00 0.00 0.04 0.00 0.00 34.50 32.44 3bkw s PRO 215 CO -0.03 -1.05 1.06 0.95 0.04 0.00 0.00 177.00 177.97 3bkw s THR 216 N -1.66 4.08 0.27 1.26 -4.23 -1.26 -4.89 115.64 109.21 3bkw s THR 216 Ca 0.75 0.67 -0.01 0.00 -1.18 0.00 0.00 61.69 61.92 3bkw s THR 216 Cb -0.28 -3.57 0.27 0.00 1.34 0.00 0.00 72.50 70.27 3bkw s THR 216 CO 0.30 -0.88 1.87 0.44 -0.54 0.00 0.00 174.62 175.81 3bkw h ASP 217 N -0.59 1.02 -0.90 3.99 3.32 -1.99 -1.45 116.42 119.81 3bkw h ASP 217 Ca -0.44 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.62 3bkw h ASP 217 Cb 1.22 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.53 3bkw h ASP 217 CO 0.61 0.62 0.54 0.00 -1.72 0.00 0.00 179.24 179.29 3bkw h ALA 218 N 1.48 1.25 -0.65 3.45 0.00 -1.99 -0.75 119.26 122.04 3bkw h ALA 218 Ca 0.45 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 3bkw h ALA 218 Cb 0.25 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3bkw h ALA 218 CO -0.20 0.64 0.15 1.96 0.00 0.00 0.00 179.25 181.80 3bkw h GLN 219 N 1.24 1.05 -0.40 0.00 4.20 -1.73 -2.35 115.11 117.13 3bkw h GLN 219 Ca 0.32 -0.26 -0.08 0.00 0.06 0.00 0.00 58.65 58.69 3bkw h GLN 219 Cb -0.05 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 3bkw h GLN 219 CO -0.06 0.94 -0.10 0.82 -0.67 0.00 0.00 178.83 179.77 3bkw h ILE 220 N 0.97 1.25 -0.54 2.54 2.04 -0.87 0.21 117.51 123.12 3bkw h ILE 220 Ca 0.20 -1.11 -0.08 0.00 1.00 0.00 0.00 64.86 64.87 3bkw h ILE 220 Cb 0.37 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 3bkw h ILE 220 CO 0.00 0.38 0.02 0.74 0.00 0.00 0.00 178.15 179.29 3bkw h THR 221 N 0.65 1.26 -0.28 -0.27 2.02 -1.00 -1.66 112.91 113.63 3bkw h THR 221 Ca 0.11 -1.07 -0.16 0.00 0.77 0.00 0.00 66.41 66.06 3bkw h THR 221 Cb 0.55 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3bkw h THR 221 CO 0.03 0.38 -0.47 0.00 0.37 0.00 0.00 175.52 175.83 3bkw h ALA 222 N 0.96 0.63 -2.78 6.16 0.00 -1.22 -3.39 119.26 119.62 3bkw h ALA 222 Ca 0.15 -0.48 -0.60 0.00 0.00 0.00 0.00 54.91 53.98 3bkw h ALA 222 Cb 0.50 -0.10 -0.40 0.00 0.00 0.00 0.00 17.79 17.80 3bkw h ALA 222 CO 0.02 0.68 -0.78 1.03 0.00 0.00 0.00 179.25 180.19 3bkw s ARG 223 N -4.20 1.36 0.47 0.00 0.52 0.73 -5.02 118.95 112.82 3bkw s ARG 223 Ca -0.09 -2.27 0.29 0.00 -0.52 0.00 0.00 55.73 53.14 3bkw s ARG 223 Cb 0.11 -2.20 1.36 0.00 0.52 0.00 0.00 34.95 34.75 3bkw s ARG 223 CO 0.86 -1.26 1.75 -1.35 0.02 0.00 0.00 175.30 175.32 3bkw h PRO 224 N 6.13 0.17 0.00 3.54 0.11 -1.51 -1.40 132.00 139.04 3bkw h PRO 224 Ca 0.12 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 3bkw h PRO 224 Cb 0.89 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 3bkw h PRO 224 CO 0.48 0.11 -0.01 1.05 -0.21 0.00 0.00 178.00 179.42 3bkw h GLU 225 N 0.17 0.00 0.00 1.05 9.09 -1.95 -2.00 114.58 120.94 3bkw h GLU 225 Ca 0.64 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.05 3bkw h GLU 225 Cb 2.10 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.20 3bkw h GLU 225 CO -0.19 0.01 0.00 1.28 0.05 0.00 0.00 179.01 180.16 3bkw n LEU 226 N -3.32 0.71 -0.34 3.06 4.77 -0.53 -3.71 117.00 117.65 3bkw n LEU 226 Ca -0.03 0.66 0.14 0.00 -0.03 0.00 0.00 56.01 56.75 3bkw n LEU 226 Cb 0.10 -0.55 0.34 0.00 -2.33 0.00 0.00 43.42 40.98 3bkw n LEU 226 CO 0.23 -0.54 1.20 0.00 -1.33 0.00 0.00 177.39 176.95 3bkw h ALA 227 N 2.28 1.73 0.00 -1.18 0.00 -1.56 -0.97 119.26 119.56 3bkw h ALA 227 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3bkw h ALA 227 Cb 0.41 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3bkw h ALA 227 CO 0.00 -0.09 -0.05 1.05 0.00 0.00 0.00 179.25 180.16 3bkw h GLU 228 N 0.74 0.00 0.00 0.00 4.11 -1.81 -2.42 114.58 115.20 3bkw h GLU 228 Ca 0.57 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.00 3bkw h GLU 228 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 3bkw h GLU 228 CO -0.36 0.05 0.00 0.93 0.07 0.00 0.00 179.01 179.70 3bkw h GLU 229 N 0.00 0.00 0.00 1.06 4.39 -1.42 -2.35 114.58 116.26 3bkw h GLU 229 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 3bkw h GLU 229 Cb 0.19 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3bkw h GLU 229 CO 0.01 0.00 -0.12 -0.07 -1.16 0.00 0.00 179.01 177.67 3bkw h LEU 230 N 0.00 0.00 0.13 1.33 3.38 -1.57 -3.26 115.31 115.31 3bkw h LEU 230 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 3bkw h LEU 230 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3bkw h LEU 230 CO 0.00 0.12 -1.38 0.44 0.09 0.00 0.00 178.44 177.71 3bkw h ASP 231 N 0.00 0.42 -4.44 -0.43 3.32 -1.64 -3.47 116.42 110.18 3bkw h ASP 231 Ca -0.00 -0.50 -0.10 0.00 0.02 0.00 0.00 57.03 56.44 3bkw h ASP 231 Cb 0.36 -0.14 -0.22 0.00 0.22 0.00 0.00 39.33 39.56 3bkw h ASP 231 CO 0.02 1.41 -0.13 0.00 -1.72 0.00 0.00 179.24 178.81 3bkw s ARG 232 N -2.64 0.68 0.08 3.56 1.04 -1.23 -4.93 118.95 115.51 3bkw s ARG 232 Ca -0.06 0.32 -0.01 0.00 -1.04 0.00 0.00 55.73 54.94 3bkw s ARG 232 Cb 0.07 0.32 0.02 0.00 -2.04 0.00 0.00 34.95 33.32 3bkw s ARG 232 CO 0.87 -0.15 0.11 -0.35 -0.04 0.00 0.00 175.30 175.74 3bkw n PRO 233 N 2.00 -0.02 -0.42 3.89 -0.04 -1.26 -4.69 135.00 134.45 3bkw n PRO 233 Ca -0.17 -0.17 -0.13 0.00 -0.04 0.00 0.00 63.50 62.98 3bkw n PRO 233 Cb 0.57 -0.10 0.00 0.00 -0.04 0.00 0.00 33.50 33.92 3bkw n PRO 233 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3bkw n PHE 235 N -2.07 -0.76 -4.32 0.54 3.72 -1.26 -4.00 117.46 109.30 3bkw n PHE 235 Ca 0.01 0.19 -0.34 0.00 -0.05 0.00 0.00 57.45 57.26 3bkw n PHE 235 Cb 0.05 -0.58 -0.13 0.00 -0.94 0.00 0.00 39.48 37.88 3bkw n PHE 235 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3bkw s LEU 236 N 1.49 3.13 -0.15 4.37 2.96 0.22 -1.98 118.68 128.72 3bkw s LEU 236 Ca 0.19 -0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 53.89 3bkw s LEU 236 Cb -0.20 -1.76 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 3bkw s LEU 236 CO 0.21 0.12 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.48 3bkw s LEU 237 N 0.64 2.72 -0.01 -0.68 1.43 0.76 -1.29 118.68 122.24 3bkw s LEU 237 Ca -0.03 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 52.74 3bkw s LEU 237 Cb -0.14 -1.62 -0.00 0.00 0.03 0.00 0.00 46.19 44.45 3bkw s LEU 237 CO 0.02 0.13 -0.07 -0.69 0.23 0.00 0.00 176.35 175.97 3bkw s VAL 238 N 0.57 0.60 -0.07 -1.59 1.01 -0.27 -0.57 120.40 120.07 3bkw s VAL 238 Ca -0.08 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.65 3bkw s VAL 238 Cb -0.15 -0.52 -0.00 0.00 0.00 0.00 0.00 36.38 35.70 3bkw s VAL 238 CO 0.03 0.18 -0.22 -0.94 0.00 0.00 0.00 175.10 174.15 3bkw s SER 239 N 0.00 2.81 0.05 3.32 1.04 -0.21 -1.07 113.70 119.64 3bkw s SER 239 Ca 0.00 -0.48 0.03 0.00 0.48 0.00 0.00 55.95 55.98 3bkw s SER 239 Cb -0.05 -1.01 -0.02 0.00 0.10 0.00 0.00 66.02 65.04 3bkw s SER 239 CO -0.00 0.18 -0.10 0.00 0.98 0.00 0.00 173.24 174.30 3bkw s ALA 240 N 0.13 0.82 0.04 5.32 0.00 -0.11 -0.86 121.76 127.09 3bkw s ALA 240 Ca -0.10 -0.81 0.09 0.00 0.00 0.00 0.00 51.96 51.14 3bkw s ALA 240 Cb -0.15 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 3bkw s ALA 240 CO 0.05 0.07 -0.24 0.50 0.00 0.00 0.00 175.76 176.15 3bkw s ARG 241 N -1.48 1.89 0.00 0.00 3.52 0.07 -0.86 118.95 122.09 3bkw s ARG 241 Ca -0.05 -1.07 0.13 0.00 -0.13 0.00 0.00 55.73 54.61 3bkw s ARG 241 Cb -0.09 -2.05 0.10 0.00 -1.56 0.00 0.00 34.95 31.35 3bkw s ARG 241 CO 0.01 0.52 0.92 2.89 -0.81 0.00 0.00 175.30 178.83